Glycoside
GD121831
Name:
CalycinosideFormula:
C21H32O16Smiles:
OCC1OC(OC2OC=CC3(OC4OC(CO)C(O)C(O)C4O)C(O)C4OC4(CO)C23)C(O)C(O)C1OAglycone:
OCC12OC1C(O)C1(O)C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.9 |
| AlogP: | -6.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 540.47 | Num_heavy_atoms: | 37 |
| TPSA: | 260.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD22165
Formula: C9H12O6
Smiles:
OCC12OC1C(O)C1(O)C=COC(O)C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 216.19 | Num_heavy_atoms: | 15 |
| TPSA: | 102.68 | NumAromaticRings: | 0 |
